[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

C14H23N3O2 — CID 27792408

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-6-17-12(5)13(11(4)15-17)14(18)16-7-9(2)19-10(3)8-16/h9-10H,6-8H2,1-5H3/t9-,10+
InChIKeyWGFHYOYPWNNSHL-AOOOYVTPSA-N
MW265.36 g/mol
LogP1.77
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (PubChem CID 27792408) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
PubChem CID27792408
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C14H23N3O2/c1-6-17-12(5)13(11(4)15-17)14(18)16-7-9(2)19-10(3)8-16/h9-10H,6-8H2,1-5H3/t9-,10+
InChIKeyWGFHYOYPWNNSHL-AOOOYVTPSA-N
XLogP1.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone with MolForge

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Related Compounds

1-(3,5-dimethyl-1-(morpholine-4-carbonyl)-1H-pyrazol-4-yl)ethanone
CID 2928061
1,3,5-Trimethyl-N~4~-morpholino-1H-pyrazole-4-carboxamide
CID 4768762
5-methyl-1-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675734
3,3-Dimethyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 118740636
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 43647243
ethyl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 43647251
propan-2-yl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 61670923
1-[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-one
CID 62727070
2,2,2-Trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55242143
(5-ethyl-3-isobutyl-1-methyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 42669902
4-[(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-morpholinecarboxylic acid
CID 56906524
1-(1-{3-[(3R*,4R*)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 70726420

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (CID 27792408) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is CCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is WGFHYOYPWNNSHL-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-17-12(5)13(11(4)15-17)14(18)16-7-9(2)19-10(3)8-16/h9-10H,6-8H2,1-5H3/t9-,10+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 27792408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).